N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide

C12H23NO2 — CID 115647055

IUPACN-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO2/c1-9(15-4)11(14)13-10-5-7-12(2,3)8-6-10/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyWOJWRYJMXIPRCW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide

N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide (PubChem CID 115647055) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
PubChem CID115647055
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(4,4-dimethylcyclohexyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NC1CCC(C)(C)CC1
InChIInChI=1S/C12H23NO2/c1-9(15-4)11(14)13-10-5-7-12(2,3)8-6-10/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyWOJWRYJMXIPRCW-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 156735738
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanamide
CID 115736861
N-(4-ethylcyclohexyl)-2-methoxypropanamide
CID 115588230
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
2-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114541432
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
(2R)-2-methoxy-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124865100
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 103923548

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide (CID 115647055) is N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide is COC(C)C(=O)NC1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide?
The InChIKey is WOJWRYJMXIPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(15-4)11(14)13-10-5-7-12(2,3)8-6-10/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide?
N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-2-methoxypropanamide is sourced from PubChem (CID 115647055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).